Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "29d1c822f6e0fba45924d0560ee0d2f0",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 113.831,
"b": 123.509,
"c": 102.443,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97932],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.601,2.590],
"number_observations_unique": 22619,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.134
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 16.900
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 20.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.710,2.590],
"number_observations": 52206,
"number_observations_unique": 2645,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.469
},
{
"type": "R(meas)",
"value": 1.507
},
{
"type": "R(pim)",
"value": 0.331
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 19.700
},
{
"type": "CC(1/2)",
"value": 0.802
}
]
},
{
"resolution_limits": [29.600,8.980],
"number_observations": 10068,
"number_observations_unique": 598,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 50.100
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 16.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}